Chem
J-GLOBAL ID：200907072707772060
Nikkaji number：J1.318.224H
(4α)-1β,7,7-Trimethyl-3β-[[(1S,3S)-1-(4-chlorophenyl)-3-phenyl-3-hydroxypropyl]thiomethyl]bicyclo[2.2.1]heptane-2-one
(4α)-1β,7,7-トリメチル-3β-[[(1S,3S)-1-(4-クロロフェニル)-3-フェニル-3-ヒドロキシプロピル]チオメチル]ビシクロ[2.2.1]ヘプタン-2-オン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C26H31ClO2S
Molecular formula furigana： C26-H31-CL-O2-S
Molecular weight： 443.040
InChI：
InChI=1S/C26H31ClO2S/c1-25(2)21-13-14-26(25,3)24(29)20(21)16-30-23(18-9-11-19(27)12-10-18)15-22(28)17-7-5-4-6-8-17/h4-12,20-23,28H,13-16H2,1-3H3/t20-,21+,22-,23-,26-/m0/s1
InChI key：
UMZRVCAVFOXQSR-CTVYPFPQSA-N
SMILES：
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2CS[C@@H](C[C@H](O)c1ccccc1)c1ccc(Cl)cc1
Systematic name (3)：
- (4α)-1β,7,7-トリメチル-3β-[[(1S,3S)-1-(4-クロロフェニル)-3-フェニル-3-ヒドロキシプロピル]チオメチル]ビシクロ[2.2.1]ヘプタン-2-オン
- (1R,3S,4R)-3-({[(1S,3S)-1-(4-クロロフェニル)-3-ヒドロキシ-3-フェニルプロピル]スルファニル}メチル)-1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2-オン
- (1R,3S,4R)-3-({[(1S,3S)-1-(4-chlorophenyl)-3-hydroxy-3-phenylpropyl]sulfanyl}methyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
- (4α)-1β,7,7-Trimethyl-3β-[[(1S,3S)-1-(4-chlorophenyl)-3-phenyl-3-hydroxypropyl]thiomethyl]bicyclo[2.2.1]heptane-2-one
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